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Title: Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading

Abstract

We investigate with nonreactive molecular dynamics simulations the dynamic response of phenolic resin and its carbon-nanotube (CNT) composites to shock wave compression. For phenolic resin, our simulations yield shock states in agreement with experiments on similar polymers except the “phase change” observed in experiments, indicating that such phase change is chemical in nature. The elastic–plastic transition is characterized by shear stress relaxation and atomic-level slip, and phenolic resin shows strong strain hardening. Shock loading of the CNT-resin composites is applied parallel or perpendicular to the CNT axis, and the composites demonstrate anisotropy in wave propagation, yield and CNT deformation. The CNTs induce stress concentrations in the composites and may increase the yield strength. Our simulations indicate that the bulk shock response of the composites depends on the volume fraction, length ratio, impact cross-section, and geometry of the CNT components; the short CNTs in current simulations have insignificant effect on the bulk response of resin polymer.

Authors:
 [1];  [2];  [3];  [4];  [3];  [5];  [6]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Texas A&M Univ., College Station, TX (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); California Institute of Technology, Pasadena, CA (United States)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  4. Advanced Cooling Technologies, Inc., Lancaster, PA (United States)
  5. Texas A & M Univ., College Station, TX (United States)
  6. California Institute of Technology, Pasadena, CA (United States)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1076468
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 109; Journal Issue: 1; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 77 NANOSCIENCE AND NANOTECHNOLOGY; carbon nanotubes; polymers; plasticity; shock waves; shear deformation

Citation Formats

Arman, B., An, Q., Luo, S. N., Desai, T. G., Tonks, D. L., Cagın, T., and Goddard, III, W. A. Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading. United States: N. p., 2011. Web. doi:10.1063/1.3524559.
Arman, B., An, Q., Luo, S. N., Desai, T. G., Tonks, D. L., Cagın, T., & Goddard, III, W. A. Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading. United States. https://doi.org/10.1063/1.3524559
Arman, B., An, Q., Luo, S. N., Desai, T. G., Tonks, D. L., Cagın, T., and Goddard, III, W. A. Tue . "Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading". United States. https://doi.org/10.1063/1.3524559. https://www.osti.gov/servlets/purl/1076468.
@article{osti_1076468,
title = {Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading},
author = {Arman, B. and An, Q. and Luo, S. N. and Desai, T. G. and Tonks, D. L. and Cagın, T. and Goddard, III, W. A.},
abstractNote = {We investigate with nonreactive molecular dynamics simulations the dynamic response of phenolic resin and its carbon-nanotube (CNT) composites to shock wave compression. For phenolic resin, our simulations yield shock states in agreement with experiments on similar polymers except the “phase change” observed in experiments, indicating that such phase change is chemical in nature. The elastic–plastic transition is characterized by shear stress relaxation and atomic-level slip, and phenolic resin shows strong strain hardening. Shock loading of the CNT-resin composites is applied parallel or perpendicular to the CNT axis, and the composites demonstrate anisotropy in wave propagation, yield and CNT deformation. The CNTs induce stress concentrations in the composites and may increase the yield strength. Our simulations indicate that the bulk shock response of the composites depends on the volume fraction, length ratio, impact cross-section, and geometry of the CNT components; the short CNTs in current simulations have insignificant effect on the bulk response of resin polymer.},
doi = {10.1063/1.3524559},
journal = {Journal of Applied Physics},
number = 1,
volume = 109,
place = {United States},
year = {Tue Jan 04 00:00:00 EST 2011},
month = {Tue Jan 04 00:00:00 EST 2011}
}

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Works referenced in this record:

Shock Wave Compression of ‘Plexiglas’ in the 2.5 to 20 Kilobar Region
journal, June 1965

  • Schmidt, D. N.; Evans, Marjorie W.
  • Nature, Vol. 206, Issue 4991
  • DOI: 10.1038/2061348b0

P, v, T Equation of State for Polyethylene
journal, October 1968

  • Pastine, D. John
  • The Journal of Chemical Physics, Vol. 49, Issue 7
  • DOI: 10.1063/1.1670544

Shock‐Wave Studies of PMMA, Fused Silica, and Sapphire
journal, September 1970

  • Barker, L. M.; Hollenbach, R. E.
  • Journal of Applied Physics, Vol. 41, Issue 10
  • DOI: 10.1063/1.1658439

Hugoniot equation of state of polymers
report, July 1995


Interfacial characteristics of a carbon nanotube–polystyrene composite system
journal, December 2001

  • Liao, Kin; Li, Sean
  • Applied Physics Letters, Vol. 79, Issue 25
  • DOI: 10.1063/1.1428116

The stress–strain behavior of polymer–nanotube composites from molecular dynamics simulation
journal, August 2003


Shock to detonation transition in a plastic bonded explosive
journal, March 2004

  • Bourne, N. K.; Milne, A. M.
  • Journal of Applied Physics, Vol. 95, Issue 5
  • DOI: 10.1063/1.1644632

Shock-compression response of an alumina-filled epoxy
journal, April 2005

  • Setchell, R. E.; Anderson, M. U.
  • Journal of Applied Physics, Vol. 97, Issue 8
  • DOI: 10.1063/1.1868055

The effect of orientation on the shock response of a carbon fibre–epoxy composite
journal, December 2007


Simulating the Initial Stage of Phenolic Resin Carbonization via the ReaxFF Reactive Force Field
journal, June 2009

  • Jiang, De-en; van Duin, Adri C. T.; Goddard, William A.
  • The Journal of Physical Chemistry A, Vol. 113, Issue 25
  • DOI: 10.1021/jp902986u

Shock-wave propagation through pristine a-SiC and carbon-nanotube-reinforced a-SiC matrix composites
journal, July 2009

  • Makeev, Maxim A.; Sundaresh, Suman; Srivastava, Deepak
  • Journal of Applied Physics, Vol. 106, Issue 1
  • DOI: 10.1063/1.3152587

Anisotropic plasticity and chain orientation in polymer glasses
journal, May 2010

  • Ge, Ting; Robbins, Mark O.
  • Journal of Polymer Science Part B: Polymer Physics, Vol. 48, Issue 13
  • DOI: 10.1002/polb.22015

First-principles and classical molecular dynamics simulation of shocked polymers
journal, February 2010


Molecular dynamics study of shock-induced chemistry in small condensed-phase hydrocarbons
journal, June 2003

  • Elert, M. L.; Zybin, S. V.; White, C. T.
  • The Journal of Chemical Physics, Vol. 118, Issue 21
  • DOI: 10.1063/1.1571051

Carbon Nanotubes--the Route Toward Applications
journal, August 2002

  • Baughman, Ray H.; Zakhidov, Anvar A.; de Heer, Walt A.
  • Science, Vol. 297, Issue 5582, p. 787-792
  • DOI: 10.1126/science.1060928

Structural Ordering in Nanotube Polymer Composites
journal, October 2004

  • Wei, Chenyu; Srivastava, Deepak; Cho, Kyeongjae
  • Nano Letters, Vol. 4, Issue 10
  • DOI: 10.1021/nl048845m

Atomistic computer simulations of shock waves
journal, October 1995


The relation between shock-state particle velocity and free surface velocity: A molecular dynamics study on single crystal Cu and silica glass
journal, May 2008

  • Luo, Sheng-Nian; Han, Li-Bo; Xie, Yun
  • Journal of Applied Physics, Vol. 103, Issue 9
  • DOI: 10.1063/1.2919571

Ultra-elastic and inelastic impact of Cu nanoparticles
journal, October 2010


Surface Step Effects on Nanoindentation
journal, October 2001


AtomEye: an efficient atomistic configuration viewer
journal, January 2003


Theory of Shear Banding in Metallic Glasses and Molecular Dynamics Calculations
journal, January 2007


Shock-induced spall in solid and liquid Cu at extreme strain rates
journal, July 2009

  • Luo, Sheng-Nian; An, Qi; Germann, Timothy C.
  • Journal of Applied Physics, Vol. 106, Issue 1
  • DOI: 10.1063/1.3158062

Dynamic response of Cu 46 Zr 54 metallic glass to high-strain-rate shock loading: Plasticity, spall, and atomic-level structures
journal, April 2010


Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
journal, December 2009


Works referencing / citing this record:

Shock response of He bubbles in single crystal Cu
journal, December 2014

  • Li, B.; Wang, L.; E., J. C.
  • Journal of Applied Physics, Vol. 116, Issue 21
  • DOI: 10.1063/1.4903732